V: Data Science I
ORAL · LL10 · ID: 1094435
Presentations
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Design of β-sheet forming antimicrobial peptides using deep learning and molecular dynamics simulations
ORAL
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Publication: Samuel Renaud and R.A. Mansbach. "Latent Spaces for Antimicrobial Peptide Design." ChemRxiv preprint (2022). [https://doi.org/10.26434/chemrxiv-2022-m3900] (Submitted, Digital Discovery, 2022)<br>Mohammadreza Niknam Hamidabad, Lindsay Wright, Natalya A. Watson, and R.A. Mansbach. "Contributions of charge and multi-body interactions to the initial aggregate formation of the beta-sheet-forming antimicrobial peptide GL13K." (In preparation, 2022)
Presenters
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Rachael A Mansbach
Concordia University
Authors
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Rachael A Mansbach
Concordia University
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Samuel Renaud
Concordia University (Canada)
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Lindsay Wright
Concordia University
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Mohammadreza Niknam Hamidabad
Concordia University
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Natalya Watson
Concordia University
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Improved Knowledge Representation Enables AI-Guided Polymer Design and Experimental Validation
ORAL
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Publication: The manuscript for this work is in preparation
Presenters
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Nathan Park
IBM Research - Almaden
Authors
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Nathan Park
IBM Research - Almaden
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The aerodynamic characteristics are modeled based on machine learning
ORAL
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Presenters
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Xing Zhao
Tianfu College of Southwest University of Finance and Economics
Authors
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Xing Zhao
Tianfu College of Southwest University of Finance and Economics
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Flagging of unacceptable segmentations: Monte Carlo dropout vs. Deep-Ensembles
ORAL
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Presenters
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Zan Klanecek
University of Ljubljana, Faculty of Mathematics and Physics
Authors
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Zan Klanecek
University of Ljubljana, Faculty of Mathematics and Physics
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Tobias Wagner
KU Leuven, Department of Imaging and Pathology, Division of Medical Physics & Quality Assessment, Leuven, Belgium
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Yao K Wang
KU Leuven, Department of Imaging and Pathology, Division of Medical Physics & Quality Assessment, Leuven, Belgium
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Lesley Cockmartin
UZ Leuven, Department of Radiology, Leuven, Belgium
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Nicholas Marshall
KU Leuven, Department of Imaging and Pathology, Division of Medical Physics & Quality Assessment, Leuven, Belgium; UZ Leuven, Department of Radiology, Leuven, Belgium
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Brayden Schott
University of Wisconsin-Madison, Department of Medical Physics, Madison, U.S.A.
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Ali Deatsch
University of Wisconsin - Madison, University of Wisconsin-Madison, Department of Medical Physics, Madison, U.S.A.
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Miloš Vrhovec
Institute of Oncology Ljubljana, Ljubljana, Slovenia
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Andrej Studen
University of Ljubljana, Faculty of Mathematics and Physics, Medical Physics, Ljubljana, Slovenia; Jožef Stefan Institute, Ljubljana, Slovenia
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Hilde Bosmans
KU Leuven, Department of Imaging and Pathology, Division of Medical Physics & Quality Assessment, Leuven, Belgium; UZ Leuven, Department of Radiology, Leuven, Belgium
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Robert Jeraj
University of Ljubljana, Faculty of Mathematics and Physics, Medical Physics, Ljubljana, Slovenia; Jožef Stefan Institute, Ljubljana, Slovenia; University of Wisconsin-Madison
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Numerical generation and coating of single soot nanoparticles: implications for atmospheric aging
ORAL
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Presenters
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Cyprien Jourdain
University of Cambridge
Authors
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Cyprien Jourdain
University of Cambridge
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Adam Boies
University of Cambridge
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Jonathan Symonds
Cambustion Ltd
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Structural Investigation of Small Molecule Selectivity for Cardiolipin
ORAL
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Publication: "Structural Investigation of Small Molecules Selectivity for Cardiolipin", planned.
Presenters
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Bernadette Mohr
University of Amsterdam
Authors
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Bernadette Mohr
University of Amsterdam
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Tristan Bereau
University of Amsterdam
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Diego van der Mast
University of Amsterdam
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